Vitas-M small molecule compound

4-{1,1,1,3,3,3-hexafluoro-2-[(2-phenylethyl)amino]propan-2-yl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK554960
SMILES Cc1[nH]n(c(=O)c1C(C(F)(F)F)(C(F)(F)F)NCCc1ccccc1)c1ccccc1

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C21H19F6N3O MW 443.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F6N3O/c1-14-17(18(31)30(29-14)16-10-6-3-7-11-16)19(20(22,23)24,21(25,26)27)28-13-12-15-8-4-2-5-9-15/h2-11,28-29H,12-13H2,1H3
InChIKey
QURMFBVPLDVQRM-UHFFFAOYSA-N
Synonyms
372502-92-6
372502926
4(111333hexafluoro2((2phenylethyl)amino)propan2yl)5methyl2phenyl12dihydro3Hpyrazol3one
4(111333hexafluoro2(2phenylethylamino)propan2yl)5methyl2phenyl1Hpyrazol3one
4(111333hexafluoro2(phenethylamino)propan2yl)5methyl2phenyl1Hpyrazol3(2H)one
Cc1(nH)n(c(=O)c1C(C(F)(F)F)(C(F)(F)F)NCCc1ccccc1)c1ccccc1
CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NCCC3=CC=CC=C3
InChI=1SC21H19F6N3Oc11417(18(31)30(2914)16106371116)19(20(2223)2421(2526)27)281312158425915h2112829H1213H21H3
MFCD01944728
ZINC000020266351
ZINC102738011
ZINC20266351

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.